POSTDOCTORAL POSITION
IN THEORETICAL/COMPUTATIONAL CHEMISTRY
TEXAS TECH UNIVERSITY
DEPARTMENT OF CHEMISTRY AND BIOCHEMISTRY
AND THE HIGH PERFORMANCE
SUPERCOMPUTER CENTER
LUBBOCK, TEXAS
One postdoctoral position is currently available in the group of Professor
Jorge A. Morales at Texas Tech University. The starting date for the
position is immediate with total funding for a period of three years from
06/01/02. The group is developing novel approaches to quantum/classical
(Q/C) theories for both time-independent (electronic structure) and
time-dependent (dynamical) processes in systems of biophysical and
biochemical interest. Present projects include:
1. The further development of new Q/C models [J. Phys. Chem. 105,
2842 (2001)] rigorously derived from the valence bond (VB) theory with
emphasis on (a) the description of charge transfer processes, (b) the
model's extension to include solvent effects, and (c) the model's
relationship with statistical mechanical methods.
2. The further development of the Electron Nuclear Dynamics
(END) theory [Rev. Mod. Phys. 66, 917 (1994), Chem. Phys. Lett. 279, 241
(1997), J. Chem. Phys. 107, 6146 (1997) and 103, 9968 (1995)] for electron
transfer processes in large systems via coherent-state formulation of the
quantum Lagrangian. This theory will also incorporate the above-mentioned
Q/C and solvent models, and semi-empirical methods.
Our group has almost unlimited access to ample computational resources such
as a SGI/Cray Origin 2000 supercomputer with 56 nodes at the Texas Tech
University High Performance Computer Center (HPCC, Reese Center), and two
Beowulf clusters with 32 and 24 nodes, respectively, on campus. In addition,
the group is developing its own Beowulf cluster of Linux PC's.
Candidates must have a sound background in theoretical chemistry.
Proficiency in Fortran programming and familiarity with Unix/Linux
environments are essential. Applicants with proven programming experience in
electronic structure codes, such as GAMESS, Gaussian, ACES II, Jaguar,
Molpro, and the likes, and/or in molecular mechanics codes, such as Amber,
CHARMM, and the likes will be highly considered. Experience in C/C++
programming, familiarity with biological systems, and/or good analytical
skills are also desirable assets but are not mandatory.
The initial appointment is for one year with possible annual renewal based
upon satisfactory performance and mutual agreement. Interested applicants
should e-mail/mail to the address shown below: (a) a cover letter, thereby
briefly indicating past scientific experience and present research
interests, and (b) a CV including a list of references together with their
complete contact information. Electronic submission of application materials
and inquiries in the form of .doc (Word) and/or .pdf (Acrobat) file
attachments is preferred. Candidates should also arrange to have two to
three letters of recommendation sent to the same address. Quick e-mail
submission of the recommendation letters followed by their signed hard
copies via regular mail is required. Reprints of the applicant's most
relevant papers are welcome.
Please, send applications and inquiries to:
Jorge A. Morales
Assistant Professor
Texas Tech University,
Department of Chemistry and Biochemistry,
Box 41061
Lubbock, TX 79409-1061
e-mail: [log in to unmask] <mailto:[log in to unmask]>
<http://webpages.acs.ttu.edu/jomorale>
Phone: (806) 742-3094; Fax: (806)-742-1289
---------------------------------------
Jorge A. Morales
Assistant Professor
Texas Tech University
Dept. of Chemistry and Biochemistry (039)
Box 41061
Lubbock, TX 79409-1061
(806) 742-3094 (voice); (806) 742-1289 (fax)
[log in to unmask]
http://webpages.acs.ttu.edu/jomorale/
www.ttu.edu/~chem/faculty/morales/morales.html
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